2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide

C12H15N5O3 — CID 115697028

IUPAC2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nccc(C#N)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O3/c1-8(2)6-15-10(18)7-16-12-11(17(19)20)9(5-13)3-4-14-12/h3-4,8H,6-7H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyPNIGACKRIYNWEQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.05
Rot. Bonds6

About 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide

2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 115697028) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID115697028
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nccc(C#N)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O3/c1-8(2)6-15-10(18)7-16-12-11(17(19)20)9(5-13)3-4-14-12/h3-4,8H,6-7H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyPNIGACKRIYNWEQ-UHFFFAOYSA-N
XLogP1.05
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
2-[(3-methyl-2-propan-2-ylbutyl)amino]-3-nitropyridine-4-carbonitrile
CID 102914019
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 115697003
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108642
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-3-nitropyridine-4-carbonitrile
CID 82813746
2-(1-hydroxypropan-2-ylamino)-3-nitropyridine-4-carbonitrile
CID 82813436
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170893
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
2-[2-(3-methylbutoxy)ethylamino]-3-nitropyridine-4-carbonitrile
CID 80711519
5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238915
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
CID 82813128
2-[(2-methoxy-2-methylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 113257425

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide (CID 115697028) is 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1nccc(C#N)c1[N+](=O)[O-].
What is the InChIKey of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is PNIGACKRIYNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(2)6-15-10(18)7-16-12-11(17(19)20)9(5-13)3-4-14-12/h3-4,8H,6-7H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 277.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115697028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).